SCHEMBL9727437

SCHEMBL9727437

COC(=O)C1CCCN1C(=O)Cc1cc(C)c(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
DPP4 P27487 2/20 0.43
FKBP1A P62942 2/20 0.43
AVPR2 P30518 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 1/20 0.42
ACE P12821 1/20 0.42
KLK5 Q9Y337 1/20 0.40
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9538232 0.85 ALDH1A1 (0.48) ALDH1A1LMNAACE
SCHEMBL9727490 0.85 FKBP1A (0.50) ALDH1A1SMN1; SMN2POLBFKBP1AMAPK1
SCHEMBL9727314 0.82 DPP4 (0.49) ALDH1A1LMNARAB9ASMN1; SMN2PKM
SCHEMBL9535279 0.81 PLA2G1B (0.36) ALDH1A1POLBGAA
SCHEMBL9727472 0.80 ALDH1A1 (0.47) ALDH1A1LMNARAB9ASMN1; SMN2PKM
SCHEMBL9727271 0.78 ALDH1A1 (0.61) ALDH1A1
SCHEMBL9727465 0.77 DPP4 (0.46) ALDH1A1LMNARAB9ASMN1; SMN2PKM
SCHEMBL30546762 0.76 P2RX7 (0.61) ALDH1A1SMN1; SMN2PKMDPP4L3MBTL1
SCHEMBL30546740 0.76 P2RX7 (0.61) ALDH1A1SMN1; SMN2PKMDPP4L3MBTL1
SCHEMBL10509005 0.76 ACE (0.59) ALDH1A1FKBP1AMAPK1L3MBTL1ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed